N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide

C19H24N4O2 — CID 17455355

IUPACN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2C)CC1
InChIInChI=1S/C19H24N4O2/c1-3-22-8-10-23(11-9-22)17-6-5-16(12-14(17)2)21-19(25)15-4-7-18(24)20-13-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyPUJFTRSDAHSNAE-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.08
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 17455355) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID17455355
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2C)CC1
InChIInChI=1S/C19H24N4O2/c1-3-22-8-10-23(11-9-22)17-6-5-16(12-14(17)2)21-19(25)15-4-7-18(24)20-13-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyPUJFTRSDAHSNAE-UHFFFAOYSA-N
XLogP2.08
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-(methanesulfonamido)benzamide
CID 41478998
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-nitrobenzamide
CID 27050616
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37023704
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 46430491
4-chloro-3-(diethylsulfamoyl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]benzamide
CID 27298805
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide
CID 46649887
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide
CID 24525567
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 24525463
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]propanamide
CID 92815262
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]benzamide
CID 46644357
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
N-(1-acetyl-2,3-dihydroindol-6-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 110627246

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 17455355) is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide is CCN1CCN(c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2C)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PUJFTRSDAHSNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-22-8-10-23(11-9-22)17-6-5-16(12-14(17)2)21-19(25)15-4-7-18(24)20-13-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 17455355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).